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6O9B
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BU of 6o9b by Molmil
Crystal structure of HLA-A3*01 in complex with a wild-type beta-catenin peptide
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, ...
Authors:Miller, M.S, Gabelli, S.B.
Deposit date:2019-03-13
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An engineered antibody fragment targeting mutant beta-catenin via major histocompatibility complex I neoantigen presentation.
J.Biol.Chem., 294, 2019
6O9C
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BU of 6o9c by Molmil
Crystal structure of HLA-A3*01 in complex with a mutant beta-catenin peptide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, Catenin beta-1, ...
Authors:Miller, M.S, Gabelli, S.B.
Deposit date:2019-03-13
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:An engineered antibody fragment targeting mutant beta-catenin via major histocompatibility complex I neoantigen presentation.
J.Biol.Chem., 294, 2019
8SPE
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BU of 8spe by Molmil
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ...
Authors:Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2023-05-03
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SVK
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BU of 8svk by Molmil
Crystal structure of Bax D71N core domain BH3-groove dimer
Descriptor: Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Miller, M.S, Czabotar, P.E, Colman, P.M.
Deposit date:2023-05-16
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
6NCT
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BU of 6nct by Molmil
Structure of p110alpha/niSH2 - vector data collection
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ...
Authors:Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B.
Deposit date:2018-12-12
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCK
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BU of 6nck by Molmil
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM)
Descriptor: COPPER (II) ION, NICKEL (II) ION, Peptidyl-glycine alpha-amidating monooxygenase
Authors:Miller, M.S, Maheshwari, S, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCI
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BU of 6nci by Molmil
Crystal structure of CDP-Chase: Vector data collection
Descriptor: D-ribose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Miller, M.S, Shi, W, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCH
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BU of 6nch by Molmil
Crystal structure of CDP-Chase: Raster data collection
Descriptor: D-ribose, PHOSPHATE ION, Phosphohydrolase (MutT/nudix family protein), ...
Authors:Miller, M.S, Shi, W, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
8SRY
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BU of 8sry by Molmil
Crystal structure of BAK-BAX heterodimer with C12E8
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, ...
Authors:Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S.
Deposit date:2023-05-08
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SRX
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BU of 8srx by Molmil
Crystal structure of BAK-BAX heterodimer with lysoPC
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2 homologous antagonist/killer, ...
Authors:Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S.
Deposit date:2023-05-07
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SPZ
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BU of 8spz by Molmil
Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine
Descriptor: Apoptosis regulator BAX, SULFATE ION
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S.
Deposit date:2023-05-04
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8SPF
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BU of 8spf by Molmil
Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DODECANE, ...
Authors:Cowan, A.D, Miller, M.S, Czabotar, P.E, Colman, P.M.
Deposit date:2023-05-03
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
8UKY
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BU of 8uky by Molmil
Crystal structure of BAK in complex with inhibiting antibody 14G6
Descriptor: 1,2-ETHANEDIOL, 14G6 Fab heavy chain, 14G6 Fab light chain, ...
Authors:Miller, M.S, Czabotar, P.E.
Deposit date:2023-10-15
Release date:2024-04-10
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:A novel inhibitory BAK antibody enables assessment of non-activated BAK in cancer cells.
Cell Death Differ., 2024
6UJ8
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BU of 6uj8 by Molmil
Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ...
Authors:Miller, M.S, Thirawatananond, P, Gabelli, S.B.
Deposit date:2019-10-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
6UJ9
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BU of 6uj9 by Molmil
Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide in complex with Fab
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Miller, M.S, Thirawatananond, P, Aytenfisu, T.Y, Wright, K, Gabelli, S.B.
Deposit date:2019-10-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
6UJ7
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BU of 6uj7 by Molmil
Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Miller, M.S, Thirawatananond, P, Gabelli, S.B.
Deposit date:2019-10-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
4OVU
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BU of 4ovu by Molmil
Crystal Structure of p110alpha in complex with niSH2 of p85alpha
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2014-01-14
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Structural basis of nSH2 regulation and lipid binding in PI3K alpha.
Oncotarget, 5, 2014
7KGU
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BU of 7kgu by Molmil
Structure of 2Q1-Fab, an antibody selective for IDH2R140Q-HLA-B*07:02
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Miller, M.S, Aytenfisu, T.Y, Wright, K.M, Gabelli, S.B.
Deposit date:2020-10-18
Release date:2021-06-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
8G1T
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BU of 8g1t by Molmil
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX
Authors:Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S.
Deposit date:2023-02-02
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 2023
5SW8
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BU of 5sw8 by Molmil
Crystal structure of PI3Kalpha in complex with fragments 7 and 11
Descriptor: 2-CHLOROBENZENESULFONAMIDE, 2H-indazol-5-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2016-08-08
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SWP
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BU of 5swp by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 6 and 24
Descriptor: 2-methylcyclohexane-1,3-dione, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2016-08-08
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXD
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BU of 5sxd by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 22
Descriptor: 2-methoxybenzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2016-08-09
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXB
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BU of 5sxb by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 23
Descriptor: ISATOIC ANHYDRIDE, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2016-08-09
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SWR
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BU of 5swr by Molmil
Crystal Structure of PI3Kalpha in complex with fragments 20 and 26
Descriptor: 2-HYDROXYBENZOIC ACID, 6-hydroxy-3,4-dihydronaphthalen-1(2H)-one, CHLORIDE ION, ...
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2016-08-08
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017
5SXA
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BU of 5sxa by Molmil
Crystal Structure of PI3Kalpha in complex with fragment 10
Descriptor: 2-(trifluoromethyl)-1H-benzimidazol-5-amine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M.
Deposit date:2016-08-09
Release date:2017-02-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design.
Bioorg. Med. Chem., 25, 2017

 

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